1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one

C18H22FN3O2 — CID 126750331

IUPAC1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(c2ncc(-c3ccccc3F)o2)CC1
InChIInChI=1S/C18H22FN3O2/c1-18(2,3)16(23)21-8-10-22(11-9-21)17-20-12-15(24-17)13-6-4-5-7-14(13)19/h4-7,12H,8-11H2,1-3H3
InChIKeyNJMTWFABDZMSLC-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.18
Rot. Bonds2

About 1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 126750331) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID126750331
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(c2ncc(-c3ccccc3F)o2)CC1
InChIInChI=1S/C18H22FN3O2/c1-18(2,3)16(23)21-8-10-22(11-9-21)17-20-12-15(24-17)13-6-4-5-7-14(13)19/h4-7,12H,8-11H2,1-3H3
InChIKeyNJMTWFABDZMSLC-UHFFFAOYSA-N
XLogP3.18
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 126750331) is 1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCN(c2ncc(-c3ccccc3F)o2)CC1.
What is the InChIKey of 1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is NJMTWFABDZMSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-18(2,3)16(23)21-8-10-22(11-9-21)17-20-12-15(24-17)13-6-4-5-7-14(13)19/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 331.39 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 126750331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).